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[ccp4bb]: NCS analysis

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Forwarded message. DON'T REPLY TO ME!!

Reply to Trixie Wagner bw6f@unix.mail.virginia.edu

> Dear all,
> I have a question not strictly related to ccp4 but it is of general
> interest, I think.
> I am working on the structure of a tetramer with non-crystallographic 222
> symmetry. It is not difficult to determine the three two-fold axes
> separately by superimposing dimers, but 
> a) they are not necessarily perpendicular to each other and/or might not
>    intersect in one point and 
> b) from the direction cosines of the axes you cannot conclude where
>    exactly to put the two-folds with respect to the tetramer (i.e. 
>    where the origin of the 222 system is located).
> I would need this information e.g. to compare two of my structures by
> superimposing their 222 axes.
> So, basically, my question is, does anybody know about a program which
> extracts the best 222 axes set from my coordinates?
> Thanks in advance,
> Trixie
> --------------------------------------------------------------------------
> Trixie Wagner, Ph.D.                                 phone: (804) 982-5764 
> Dept. of Biology                                       fax: (804) 982-4896
> Gilmer Hall
> University of Virginia
> Charlottesville, VA 22903